REMARK  Name = BDB034784
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.117  -4.168  -2.118  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        2.514  -3.088  -1.263  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.644  -2.267  -0.539  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.408  -1.321   0.142  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.827  -0.355   0.941  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.423  -0.330   1.045  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.330  -1.319   0.368  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        3.758  -1.565  -0.153  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        0.272  -2.292  -0.441  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.841  -2.654  -1.052  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        4.852  -3.119  -1.553  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -0.173   0.627   1.896  0.00  0.00    -0.298 N 
ATOM     13  H   LIG    1        0.487   1.319   2.237  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -1.480   1.184   1.865  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1       -1.881   2.009   2.906  0.00  0.00    +0.099 A 
ATOM     16 CL   LIG    1       -0.857   2.439   4.219  0.00  0.00    -0.078 Cl
ATOM     17  C   LIG    1       -3.161   2.498   2.833  0.00  0.00    +0.137 A 
ATOM     18  N   LIG    1       -4.008   2.218   1.825  0.00  0.00    -0.221 NA
ATOM     19  C   LIG    1       -3.561   1.411   0.851  0.00  0.00    +0.220 A 
ATOM     20  N   LIG    1       -2.324   0.887   0.854  0.00  0.00    -0.198 NA
BRANCH  19  21
ATOM     21  N   LIG    1       -4.389   1.136  -0.202  0.00  0.00    -0.294 N 
ATOM     22  C   LIG    1       -4.166  -0.012  -1.070  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -5.132   0.310  -2.228  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -6.230   1.186  -1.596  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -4.598  -1.290  -0.320  0.00  0.00    +0.022 C 
ATOM     26  C   LIG    1       -6.052  -1.220   0.174  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -6.422   0.165   0.729  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1       -5.831   1.316  -0.112  0.00  0.00    +0.077 C 
ENDBRANCH  19  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  29
ATOM     29  C   LIG    1        4.878  -0.765   0.284  0.00  0.00    +0.130 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.132   0.411  -0.665  0.00  0.00    +0.056 C 
BRANCH  30  31
ATOM     31  C   LIG    1        6.212   1.394  -0.177  0.00  0.00    +0.062 C 
ATOM     32  C   LIG    1        6.555   2.379  -1.300  0.00  0.00    +0.041 C 
ATOM     33  C   LIG    1        5.767   2.163   1.070  0.00  0.00    +0.041 C 
BRANCH  31  34
ATOM     34  O   LIG    1        7.389   0.658   0.150  0.00  0.00    -0.389 OA
ATOM     35  H   LIG    1        8.100   1.291   0.351  0.00  0.00    +0.210 HD
ENDBRANCH  31  34
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   8  29
TORSDOF 7